化工社化工社 化学情報印刷レポート · 研究参考用
2-ヨードニトロベンゼン
2-ヨードニトロベンゼン · (2-ニトロフェニル)ヨージド · 1-ヨード-2-ニトロベンゼン · 2-ニトロフェニルヨージド · o-ニトロヨードベンゼン · 1-ニトロ-2-ヨードベンゼン · 2-ヨード-1-ニトロベンゼン · o-ヨードニトロベンゼン
識別子と物理属性
| CAS No. | 609-73-4 |
|---|---|
| 分子式 | C6H4INO2 |
| 平均分子量 | 249.01 g/mol |
| 単同位体質量 | 248.92868 g/mol |
| SMILES | O=[N+]([O-])c1ccccc1I |
| InChIKey | JXMZUNPWVXQADG-UHFFFAOYSA-N |
| PubChem CID | 69115 |
| EC No. | 210-200-1 |
| DTXSID | DTXSID9060574 |
| 現地名 | 2-ヨードニトロベンゼン |
化学・物理的性質
| XLogP | 2.6 |
|---|---|
| 極性表面積 | 45.8 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 134 |
| Physical Description | Yellow powder[Alfa Aesar MSDS] |
| Kovats Retention Index | 1457.8 |
| 融点 | 49-51 °C(lit.) |
| 沸点 | 288-289 °C(lit.) |
| 密度 | 1.9186 |
| 引火点 | >230 °F |
| 貯蔵条件 | Refrigerator (+4°C) |
| 溶解度 | soluble in Methanol不溶性 |
| 外観・状態 | 粒状粉末 |
| 色 | 黄緑から黄褐色 |
| BRN | 2044110 |
| 安定性 | 安定。強塩基、強酸化剤とは相容れない。 |
| InChI | 1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H |
| InChIKey | JXMZUNPWVXQADG-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccccc1I |
| CAS データベース | 609-73-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzene, 1-iodo-2-nitro-(609-73-4) |
| EPAの化学物質情報 | Benzene, 1-iodo-2-nitro- (609-73-4) |
化学的特性
solid
安全性と法規制
| GHS 分類 | WarningH302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (95.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (95.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 有害性の概要 | A skin and strong eye irritantMay induce methemoglobinemiaToxic by ingestion and skin absorptionHarmful by inhalation[Alfa Aesar MSDS] See 2-Bromonitrobenzene. |
| Hazard Classes and Categories | Acute Tox. 4 (95.8%)Skin Irrit. 2 (97.9%)Eye Irrit. 2 (97.9%)STOT SE 3 (95.8%) |
| 有害作用 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | 2811 |
| 税関コード | 29049090 |
| 危険文句（R） |
用途
使用
1-Iodo-2-nitrobenzene is used as a reagent in the synthesis of 2'',4-Bis(aminophenyl)methane (B405515); an analog of 4,4''-Methylenedianiline (M304180) used in the manufacturing of resin enamel coating materials for copper wires.